3-methoxy-4,5,6-tri(nonyl)benzene-1,2-diolate

Systemtic Name: 3-methoxy-4,5,6-tri(nonyl)benzene-1,2-diolate Openeye Name: 3-methoxy-4,5,6-tri(nonyl)benzene-1,2-diolate CAS Name: 3-methoxy-4,5,6-tri(nonyl)benzene-1,2-diolate IUPAC Name: 3-methoxy-4,5,6-tri(nonyl)benzene-1,2-diolate Traditional Name: 3-methoxy-4,5,6-tri(nonyl)benzene-1,2-diolate Formula: C34H60O3-2 MolecularWeight: 516.8384

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC1=C(C(=C(C(=C1CCCCCCCCC)OC)[O-])[O-])CCCCCCCCC

Isomeric SMILES

CCCCCCCCCC1=C(C(=C(C(=C1CCCCCCCCC)OC)[O-])[O-])CCCCCCCCC

InChI

InChI=1S/C34H62O3/c1-5-8-11-14-17-20-23-26-29-30(27-24-21-18-15-12-9-6-2)32(35)33(36)34(37-4)31(29)28-25-22-19-16-13-10-7-3/h35-36H,5-28H2,1-4H3/p-2